methyl (2S)-2-[(4-methylsulfanylphenyl)methylamino]propanoate

Systemtic Name: methyl (2S)-2-[(4-methylsulfanylphenyl)methylamino]propanoate Openeye Name: methyl (2S)-2-[(4-methylsulfanylphenyl)methylamino]propanoate CAS Name: (2S)-2-[[4-(methylthio)phenyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylsulfanylphenyl)methylamino]propanoate Traditional Name: (2S)-2-[[4-(methylthio)benzyl]amino]propionic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NCC1=CC=C(C=C1)SC

Isomeric SMILES

C[C@@H](C(=O)OC)NCC1=CC=C(C=C1)SC

InChI

InChI=1S/C12H17NO2S/c1-9(12(14)15-2)13-8-10-4-6-11(16-3)7-5-10/h4-7,9,13H,8H2,1-3H3/t9-/m0/s1